Marvin  01191216002D          

 18 19  0  0  0  0            999 V2000
    9.9849  -11.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8331  -12.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6813  -11.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1367  -12.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5295  -12.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3777  -11.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3777  -10.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5295   -9.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6813  -10.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1367  -13.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2886  -14.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4404  -13.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4404  -12.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2886  -11.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2886  -15.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1367  -16.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2259   -9.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5922  -11.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  9  3  1  0  0  0  0
  5  3  2  0  0  0  0
 10  4  2  0  0  0  0
 14  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
 17  7  1  0  0  0  0
  9  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 15 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 18 13  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <ID>
CHEBI:63672

> <NAME>
3-methoxy-4',5-dihydroxy-trans-stilbene

> <DEFINITION>
A stilbenoid that is trans-resveratrol in which one of the meta-hydroxy groups is converted to the corresponding methyl ether.

> <STAR>
3

> <SYNONYM>
resveratrol monomethyl ether; 3-methoxy-4',5-dihydroxy-trans-stilbene

> <IUPAC_NAME>
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol

> <FORMULA>
C15H14O3

> <MASS>
242.26990

> <MONOISOTOPIC_MASS>
242.09429

> <CHARGE>
0

> <SMILES>
COc1cc(O)cc(\C=C\c2ccc(O)cc2)c1

> <INCHI>
InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+

> <INCHIKEY>
KUWZXOMQXYWKBS-NSCUHMNNSA-N

> <REAXYS_REGISTRY_NUMBER>
1879704

> <METACYC_ACCESSION>
CPD-12871

> <PUBMED_CITATION>
18799660

$$$$